data_7418 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CaM complexed to DRP1p ; _BMRB_accession_number 7418 _BMRB_flat_file_name bmr7418.str _Entry_type original _Submission_date 2008-02-04 _Accession_date 2008-02-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure refined using paramagnetism-based restraints (pcs and rdc)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Luchinat Claudio . . 3 Parigi Giacomo . . 4 Yuan Jing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 120 "13C chemical shifts" 345 "15N chemical shifts" 120 "residual dipolar couplings" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15650 'calmodulin with Calcium' 7416 'calmodulin with Terbium(III)' 7417 'calmodulin with Dysprosium(III)' stop_ _Original_release_date 2009-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19317469 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertini Ivano . . 2 Kursula Petri . . 3 Luchinat Claudio . . 4 Parigi Giacomo . . 5 Vahokoski Juha . . 6 Yuan Jing . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 131 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5134 _Page_last 5144 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Calmodulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Calmodulin $calmodulin 'Calcium ion, 1' $CA 'Calcium ion, 2' $CA 'Calcium ion, 3' $CA Thulium(III) $TM stop_ _System_molecular_weight 16636.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calmodulin _Molecular_mass 16650.387 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGD GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASP 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15183 calmodulin 100.00 149 97.97 100.00 1.53e-98 BMRB 15184 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15185 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15186 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15187 calmodulin 100.00 149 97.97 100.00 1.53e-98 BMRB 15188 calmodulin 100.00 148 98.65 100.00 5.24e-99 BMRB 15191 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15470 calmodulin 100.00 148 98.65 100.00 8.29e-99 BMRB 15624 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 15650 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 15852 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 16418 apoCaM 100.00 148 99.32 100.00 2.26e-99 BMRB 16465 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 16764 CALMODULIN 100.00 150 99.32 100.00 2.42e-99 BMRB 17264 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 17360 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 17771 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 17807 Calmodulin 99.32 147 99.32 100.00 1.08e-98 BMRB 18027 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 18028 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 18556 Calmodulin 100.00 148 97.97 99.32 1.18e-97 BMRB 19036 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 19238 Calmodulin_prototypical_calcium_sensor 100.00 148 99.32 100.00 2.26e-99 BMRB 19586 entity_1 100.00 148 99.32 100.00 2.26e-99 BMRB 19604 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 26503 Calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 4056 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 5227 CaM 100.00 148 99.32 100.00 2.26e-99 BMRB 6541 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6798 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6802 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 6825 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 6830 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 6831 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 7018 calmodulin 100.00 148 99.32 100.00 2.26e-99 BMRB 7028 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7029 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7030 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7031 calmodulin 100.00 148 97.97 99.32 1.57e-97 BMRB 7416 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7417 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7423 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7424 calmodulin 100.00 148 100.00 100.00 7.10e-100 BMRB 7425 calmodulin 100.00 148 100.00 100.00 7.10e-100 PDB 1A29 "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFC "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFD "Calcium-Free Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1CFF "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" 100.00 148 99.32 100.00 2.26e-99 PDB 1CKK "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" 100.00 148 99.32 100.00 2.26e-99 PDB 1CLL "Calmodulin Structure Refined At 1.7 Angstroms Resolution" 100.00 148 99.32 100.00 2.26e-99 PDB 1CM1 "Motions Of Calmodulin-Single-Conformer Refinement" 100.00 148 99.32 100.00 2.26e-99 PDB 1CM4 "Motions Of Calmodulin-four-conformer Refinement" 100.00 148 99.32 100.00 2.26e-99 PDB 1CTR "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 1DMO "Calmodulin, Nmr, 30 Structures" 100.00 148 98.65 100.00 8.29e-99 PDB 1G4Y "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1IQ5 "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" 100.00 149 99.32 100.00 2.64e-99 PDB 1IWQ "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" 100.00 148 99.32 100.00 2.26e-99 PDB 1K90 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 148 99.32 100.00 2.26e-99 PDB 1K93 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 97.30 144 99.31 100.00 2.40e-96 PDB 1L7Z "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 1LIN "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" 100.00 148 99.32 100.00 2.26e-99 PDB 1LVC "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" 100.00 149 99.32 100.00 2.64e-99 PDB 1MUX "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" 100.00 148 99.32 100.00 2.26e-99 PDB 1MXE "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" 100.00 148 97.30 99.32 3.26e-97 PDB 1NWD "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" 100.00 148 99.32 100.00 2.26e-99 PDB 1OOJ "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" 100.00 149 97.30 98.65 7.98e-97 PDB 1PRW "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form" 100.00 149 98.65 99.32 1.88e-98 PDB 1QIV "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 1QIW "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" 100.00 148 99.32 100.00 2.26e-99 PDB 1QX5 "Crystal Structure Of Apocalmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1S26 "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" 100.00 148 99.32 100.00 2.26e-99 PDB 1SK6 "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 1SY9 "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" 100.00 148 99.32 100.00 2.26e-99 PDB 1UP5 "Chicken Calmodulin" 100.00 148 98.65 99.32 1.82e-98 PDB 1WRZ "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" 100.00 149 99.32 100.00 2.64e-99 PDB 1X02 "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 1XA5 "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" 100.00 148 99.32 100.00 2.26e-99 PDB 1XFU "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFV "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFW "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFY "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" 100.00 149 98.65 100.00 6.25e-99 PDB 1XFZ "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" 100.00 149 98.65 100.00 6.25e-99 PDB 1Y0V "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" 97.30 146 99.31 100.00 1.97e-96 PDB 1YR5 "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" 100.00 148 99.32 100.00 2.26e-99 PDB 2BBM "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 3.26e-97 PDB 2BBN "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" 100.00 148 97.30 99.32 3.26e-97 PDB 2BCX "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2BKH "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 2BKI "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" 100.00 149 99.32 100.00 2.64e-99 PDB 2DFS "3-D Structure Of Myosin-V Inhibited State" 100.00 148 99.32 100.00 2.26e-99 PDB 2F2O "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 99.32 100.00 3.84e-99 PDB 2F2P "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" 100.00 179 99.32 100.00 3.84e-99 PDB 2F3Y "CalmodulinIQ DOMAIN COMPLEX" 100.00 148 99.32 100.00 2.26e-99 PDB 2F3Z "CalmodulinIQ-Aa Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2FOT "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" 100.00 148 99.32 100.00 2.26e-99 PDB 2HQW "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2JZI "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0E "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0F "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" 100.00 148 99.32 100.00 2.26e-99 PDB 2K0J "Solution Structure Of Cam Complexed To Drp1p" 100.00 148 100.00 100.00 7.10e-100 PDB 2K61 "Solution Structure Of Cam Complexed To Dapk Peptide" 100.00 148 100.00 100.00 7.10e-100 PDB 2KDU "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" 100.00 148 99.32 100.00 2.26e-99 PDB 2KNE "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" 100.00 148 99.32 100.00 2.26e-99 PDB 2L53 "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" 100.00 148 99.32 100.00 2.26e-99 PDB 2L7L "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" 100.00 148 99.32 100.00 2.26e-99 PDB 2LGF "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" 98.65 146 99.32 100.00 5.85e-98 PDB 2LL6 "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2LL7 "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" 100.00 148 99.32 100.00 2.26e-99 PDB 2LV6 "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" 100.00 148 97.97 99.32 1.18e-97 PDB 2M0J "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2M0K "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" 100.00 148 99.32 100.00 2.26e-99 PDB 2M55 "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 2MG5 "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" 100.00 148 99.32 100.00 2.26e-99 PDB 2MGU "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" 100.00 148 99.32 100.00 2.26e-99 PDB 2O5G "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2O60 "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" 100.00 148 99.32 100.00 2.26e-99 PDB 2R28 "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 2V01 "Recombinant Vertebrate Calmodulin Complexed With Pb" 100.00 149 99.32 100.00 2.64e-99 PDB 2V02 "Recombinant Vertebrate Calmodulin Complexed With Ba" 100.00 149 99.32 100.00 2.64e-99 PDB 2VAS "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" 100.00 149 97.30 99.32 3.48e-97 PDB 2VAY "Calmodulin Complexed With Cav1.1 Iq Peptide" 98.65 146 99.32 100.00 5.85e-98 PDB 2W73 "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" 100.00 149 99.32 100.00 2.64e-99 PDB 2WEL "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" 100.00 150 99.32 100.00 2.79e-99 PDB 2X0G "X-ray Structure Of A Dap-kinase Calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 2X51 "M6 Delta Insert1" 100.00 149 97.30 99.32 3.48e-97 PDB 2Y4V "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 2YGG "Complex Of Cambr And Cam" 100.00 150 99.32 100.00 3.01e-99 PDB 3BXK "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3BXL "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3BYA "Structure Of A Calmodulin Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3CLN "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" 100.00 148 98.65 100.00 8.29e-99 PDB 3DVE "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVJ "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVK "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3DVM "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" 100.00 148 99.32 100.00 2.26e-99 PDB 3EK4 "Calcium-saturated Gcamp2 Monomer" 99.32 449 99.32 100.00 4.06e-95 PDB 3EK7 "Calcium-Saturated Gcamp2 Dimer" 99.32 449 99.32 100.00 4.06e-95 PDB 3EK8 "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" 99.32 449 99.32 100.00 4.77e-95 PDB 3EKH "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER" 99.32 449 98.64 99.32 4.10e-94 PDB 3EVU "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" 99.32 449 99.32 100.00 4.06e-95 PDB 3EVV "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" 99.32 449 99.32 100.00 4.06e-95 PDB 3EWT "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.23e-99 PDB 3EWV "Crystal Structure Of Calmodulin Complexed With A Peptide" 100.00 154 99.32 100.00 1.23e-99 PDB 3G43 "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" 100.00 148 99.32 100.00 2.26e-99 PDB 3GN4 "Myosin Lever Arm" 100.00 149 97.30 99.32 3.48e-97 PDB 3GOF "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" 100.00 148 99.32 100.00 2.26e-99 PDB 3HR4 "Human Inos Reductase And Calmodulin Complex" 100.00 149 99.32 100.00 2.64e-99 PDB 3IF7 "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" 100.00 148 99.32 100.00 2.26e-99 PDB 3J41 "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" 100.00 149 99.32 100.00 2.64e-99 PDB 3L9I "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 3O77 "The Structure Of Ca2+ Sensor (Case-16)" 99.32 415 99.32 100.00 2.10e-95 PDB 3O78 "The Structure Of Ca2+ Sensor (Case-12)" 99.32 415 99.32 100.00 2.10e-95 PDB 3OXQ "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" 100.00 149 99.32 100.00 2.64e-99 PDB 3SG2 "Crystal Structure Of Gcamp2-t116v,d381y" 99.32 449 98.64 99.32 6.67e-94 PDB 3SG3 "Crystal Structure Of Gcamp3-d380y" 99.32 449 99.32 99.32 2.01e-94 PDB 3SG4 "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)" 100.00 448 98.65 98.65 1.68e-94 PDB 3SG5 "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)" 100.00 448 98.65 98.65 1.25e-94 PDB 3SG6 "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" 99.32 450 99.32 100.00 4.09e-95 PDB 3SG7 "Crystal Structure Of Gcamp3-kf(linker 1)" 99.32 448 100.00 100.00 1.37e-95 PDB 3SJQ "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 3SUI "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" 100.00 149 99.32 100.00 2.64e-99 PDB 3U0K "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp" 99.32 440 99.32 99.32 3.86e-95 PDB 3WFN "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" 100.00 182 99.32 100.00 3.10e-99 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 100.00 149 97.30 99.32 3.48e-97 PDB 4BW7 "Calmodulin In Complex With Strontium" 100.00 149 99.32 100.00 2.64e-99 PDB 4BW8 "Calmodulin With Small Bend In Central Helix" 100.00 149 99.32 100.00 2.64e-99 PDB 4BYF "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" 100.00 149 99.32 100.00 2.64e-99 PDB 4CLN "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" 100.00 148 97.30 99.32 3.26e-97 PDB 4DBP "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" 100.00 149 97.30 99.32 3.48e-97 PDB 4DBQ "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" 100.00 149 97.30 99.32 3.48e-97 PDB 4DCK "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" 100.00 149 99.32 100.00 2.64e-99 PDB 4DJC "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" 100.00 152 99.32 100.00 1.46e-99 PDB 4E50 "Calmodulin And Ng Peptide Complex" 100.00 185 99.32 100.00 1.30e-99 PDB 4EHQ "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" 100.00 148 99.32 100.00 2.26e-99 PDB 4G27 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" 100.00 149 99.32 100.00 2.64e-99 PDB 4G28 "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" 100.00 149 99.32 100.00 2.64e-99 PDB 4HEX "A Novel Conformation Of Calmodulin" 100.00 156 99.32 100.00 1.01e-99 PDB 4IK1 "High Resolution Structure Of Gcampj At Ph 8.5" 99.32 448 99.32 99.32 1.91e-94 PDB 4IK3 "High Resolution Structure Of Gcamp3 At Ph 8.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK4 "High Resolution Structure Of Gcamp3 At Ph 5.0" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK5 "High Resolution Structure Of Delta-rest-gcamp3" 99.32 414 100.00 100.00 5.40e-96 PDB 4IK8 "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4IK9 "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5" 99.32 448 100.00 100.00 1.46e-95 PDB 4J9Y "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" 100.00 149 99.32 100.00 2.64e-99 PDB 4J9Z "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" 100.00 149 99.32 100.00 2.64e-99 PDB 4JPZ "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4JQ0 "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4L79 "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4LZX "Complex Of Iqcg And Ca2+-free Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 4M1L "Complex Of Iqcg And Ca2+-bound Cam" 100.00 148 99.32 100.00 2.26e-99 PDB 4Q5U "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" 100.00 149 99.32 100.00 2.64e-99 PDB 4QNH "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a" 100.00 149 98.65 99.32 3.55e-98 PDB 4R8G "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 4UMO "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 2.64e-99 PDB 4UPU "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" 100.00 148 99.32 100.00 2.26e-99 PDB 4V0C "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA08302 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA11896 "calmodulin [Anas platyrhynchos]" 100.00 149 99.32 100.00 2.64e-99 DBJ BAA19786 "calmodulin [Branchiostoma lanceolatum]" 100.00 149 97.30 99.32 3.48e-97 DBJ BAA19787 "calmodulin [Branchiostoma floridae]" 100.00 149 97.30 99.32 3.48e-97 DBJ BAA19788 "calmodulin [Halocynthia roretzi]" 100.00 149 97.30 99.32 3.48e-97 EMBL CAA10601 "calmodulin [Caenorhabditis elegans]" 100.00 149 97.30 98.65 7.98e-97 EMBL CAA32050 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32062 "calmodulin II [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32119 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 EMBL CAA32120 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA35635 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 GB AAA35641 "calmodulin [Homo sapiens]" 100.00 149 99.32 100.00 2.64e-99 GB AAA37365 "calmodulin synthesis [Mus musculus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA40862 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 GB AAA40863 "calmodulin [Rattus norvegicus]" 100.00 149 99.32 100.00 2.64e-99 PIR JC1305 "calmodulin - Japanese medaka" 100.00 149 99.32 100.00 2.64e-99 PIR MCON "calmodulin - salmon" 100.00 148 99.32 100.00 2.26e-99 PRF 0608335A calmodulin 100.00 148 98.65 99.32 7.13e-98 PRF 0711223A calmodulin 100.00 148 97.30 99.32 6.77e-97 REF NP_001008160 "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001009759 "calmodulin [Ovis aries]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001039714 "calmodulin [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 REF NP_001040234 "calmodulin [Bombyx mori]" 100.00 149 97.30 99.32 3.48e-97 REF NP_001080864 "calmodulin [Xenopus laevis]" 100.00 149 99.32 100.00 2.64e-99 SP O16305 "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" 100.00 149 97.30 98.65 7.98e-97 SP P02594 "RecName: Full=Calmodulin; Short=CaM [Electrophorus electricus]" 100.00 149 98.65 100.00 8.96e-99 SP P02595 "RecName: Full=Calmodulin; Short=CaM [Patinopecten sp.]" 100.00 149 97.30 99.32 9.40e-97 SP P11121 "RecName: Full=Calmodulin; Short=CaM [Pyuridae gen. sp.]" 100.00 149 97.97 99.32 1.05e-97 SP P21251 "RecName: Full=Calmodulin; Short=CaM [Apostichopus japonicus]" 100.00 149 97.97 99.32 6.40e-98 TPG DAA13808 "TPA: calmodulin 2-like [Bos taurus]" 100.00 216 97.97 98.65 1.23e-97 TPG DAA18029 "TPA: calmodulin [Bos taurus]" 100.00 149 97.97 99.32 4.71e-98 TPG DAA19590 "TPA: calmodulin 3 [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 TPG DAA24777 "TPA: calmodulin 2-like [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 TPG DAA24988 "TPA: calmodulin 2-like isoform 1 [Bos taurus]" 100.00 149 99.32 100.00 2.64e-99 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 28 16:43:25 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_TM _Saveframe_category ligand _Mol_type non-polymer _Name_common "TM (Thulium(III) ION)" _BMRB_code . _PDB_code TM _Molecular_mass 168.934 _Mol_charge 3 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 21 02:45:51 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons TM TM TM N 3 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calmodulin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $calmodulin 'recombinant technology' . Escherichia coli . pET16b-CaM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 0.4 mM '[U-100% 13C; U-100% 15N]' Hepes 30 mM . NaCl 150 mM . TCEP 0.5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $assembly 0.4 mM '[U-100% 15N]' Hepes 30 mM . NaCl 150 mM . TCEP 0.5 mM . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_IPAP_6 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _Sample_label $sample_2 save_ save_15N_relaxation_measurement_R1_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation measurement R1' _Sample_label $sample_2 save_ save_15N_relaxation_measurement_R2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N relaxation measurement R2' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio dioxane C 13 'methyl carbon' ppm 69.46 external direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_3CaTMCaM _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HN(CO)CA' IPAP stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Calmodulin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP H H 7.268 0.01 1 2 2 2 ASP C C 174.727 0.2 1 3 2 2 ASP CA C 53.534 0.2 1 4 2 2 ASP CB C 39.173 0.2 1 5 2 2 ASP N N 116.404 0.2 1 6 3 3 GLN H H 7.251 0.01 1 7 3 3 GLN C C 174.327 0.2 1 8 3 3 GLN CA C 53.908 0.2 1 9 3 3 GLN CB C 28.07 0.2 1 10 3 3 GLN N N 117.298 0.2 1 11 4 4 LEU H H 6.919 0.01 1 12 4 4 LEU C C 175.927 0.2 1 13 4 4 LEU CA C 52.548 0.2 1 14 4 4 LEU CB C 41.399 0.2 1 15 4 4 LEU N N 120.866 0.2 1 16 5 5 THR H H 8.056 0.01 1 17 5 5 THR C C 173.727 0.2 1 18 5 5 THR CA C 58.873 0.2 1 19 5 5 THR CB C 70.38 0.2 1 20 5 5 THR N N 112.041 0.2 1 21 6 6 GLU H H 8.187 0.01 1 22 6 6 GLU C C 177.927 0.2 1 23 6 6 GLU CA C 58.308 0.2 1 24 6 6 GLU CB C 27.179 0.2 1 25 6 6 GLU N N 119.382 0.2 1 26 7 7 GLU H H 7.883 0.01 1 27 7 7 GLU C C 177.427 0.2 1 28 7 7 GLU CA C 58.342 0.2 1 29 7 7 GLU CB C 27.597 0.2 1 30 7 7 GLU N N 118.65 0.2 1 31 8 8 GLN H H 6.925 0.01 1 32 8 8 GLN C C 176.427 0.2 1 33 8 8 GLN CA C 56.997 0.2 1 34 8 8 GLN CB C 28.229 0.2 1 35 8 8 GLN N N 119.183 0.2 1 36 9 9 ILE H H 7.166 0.01 1 37 9 9 ILE C C 175.327 0.2 1 38 9 9 ILE CA C 64.154 0.2 1 39 9 9 ILE CB C 37.004 0.2 1 40 9 9 ILE N N 117.912 0.2 1 41 10 10 ALA H H 6.696 0.01 1 42 10 10 ALA C C 179.427 0.2 1 43 10 10 ALA CA C 53.36 0.2 1 44 10 10 ALA CB C 15.637 0.2 1 45 10 10 ALA N N 119.576 0.2 1 46 11 11 GLU H H 6.869 0.01 1 47 11 11 GLU C C 178.927 0.2 1 48 11 11 GLU CA C 57.907 0.2 1 49 11 11 GLU CB C 27.971 0.2 1 50 11 11 GLU N N 118.582 0.2 1 51 12 12 PHE H H 7.61 0.01 1 52 12 12 PHE C C 176.627 0.2 1 53 12 12 PHE CA C 56.125 0.2 1 54 12 12 PHE CB C 34.873 0.2 1 55 12 12 PHE N N 119.037 0.2 1 56 13 13 LYS H H 7.37 0.01 1 57 13 13 LYS C C 176.527 0.2 1 58 13 13 LYS CA C 56.804 0.2 1 59 13 13 LYS CB C 28.249 0.2 1 60 13 13 LYS N N 122.028 0.2 1 61 14 14 GLU H H 6.413 0.01 1 62 14 14 GLU C C 177.927 0.2 1 63 14 14 GLU CA C 57.646 0.2 1 64 14 14 GLU CB C 27.608 0.2 1 65 14 14 GLU N N 118.53 0.2 1 66 15 15 ALA H H 6.992 0.01 1 67 15 15 ALA C C 177.027 0.2 1 68 15 15 ALA CA C 54.269 0.2 1 69 15 15 ALA CB C 16.615 0.2 1 70 15 15 ALA N N 120.791 0.2 1 71 16 16 PHE H H 7.506 0.01 1 72 16 16 PHE C C 175.227 0.2 1 73 16 16 PHE CA C 59.918 0.2 1 74 16 16 PHE CB C 36.076 0.2 1 75 16 16 PHE N N 117.951 0.2 1 76 17 17 SER H H 6.438 0.01 1 77 17 17 SER C C 172.927 0.2 1 78 17 17 SER CA C 59.302 0.2 1 79 17 17 SER CB C 62.617 0.2 1 80 17 17 SER N N 111.13 0.2 1 81 18 18 LEU H H 6.612 0.01 1 82 18 18 LEU C C 177.927 0.2 1 83 18 18 LEU CA C 56.441 0.2 1 84 18 18 LEU CB C 40.052 0.2 1 85 18 18 LEU N N 119.579 0.2 1 86 19 19 PHE H H 7.064 0.01 1 87 19 19 PHE C C 176.927 0.2 1 88 19 19 PHE CA C 60.595 0.2 1 89 19 19 PHE CB C 41.936 0.2 1 90 19 19 PHE N N 114.798 0.2 1 91 20 20 ASP H H 6.998 0.01 1 92 20 20 ASP C C 175.327 0.2 1 93 20 20 ASP CA C 50.354 0.2 1 94 20 20 ASP CB C 35.764 0.2 1 95 20 20 ASP N N 116.727 0.2 1 96 21 21 LYS H H 7.51 0.01 1 97 21 21 LYS C C 176.827 0.2 1 98 21 21 LYS CA C 57.165 0.2 1 99 21 21 LYS CB C 31.663 0.2 1 100 21 21 LYS N N 123.529 0.2 1 101 22 22 ASP H H 7.046 0.01 1 102 22 22 ASP C C 175.627 0.2 1 103 22 22 ASP CA C 51.026 0.2 1 104 22 22 ASP CB C 37.599 0.2 1 105 22 22 ASP N N 113.181 0.2 1 106 23 23 GLY H H 6.153 0.01 1 107 23 23 GLY C C 172.027 0.2 1 108 23 23 GLY CA C 44.306 0.2 1 109 23 23 GLY N N 107.74 0.2 1 110 24 24 ASP H H 5.903 0.01 1 111 24 24 ASP CA C 49.958 0.2 1 112 24 24 ASP N N 118.318 0.2 1 113 30 30 LYS H H 9.445 0.01 1 114 30 30 LYS C C 180.827 0.2 1 115 30 30 LYS CA C 59.916 0.2 1 116 30 30 LYS CB C 32.518 0.2 1 117 30 30 LYS N N 123.587 0.2 1 118 31 31 GLU H H 9.866 0.01 1 119 31 31 GLU C C 180.927 0.2 1 120 31 31 GLU CA C 60.538 0.2 1 121 31 31 GLU CB C 30.612 0.2 1 122 31 31 GLU N N 124.331 0.2 1 123 32 32 LEU H H 12.529 0.01 1 124 32 32 LEU C C 180.927 0.2 1 125 32 32 LEU CA C 61.613 0.2 1 126 32 32 LEU CB C 47.586 0.2 1 127 32 32 LEU N N 124.295 0.2 1 128 33 33 GLY H H 11.533 0.01 1 129 33 33 GLY C C 175.927 0.2 1 130 33 33 GLY CA C 49.428 0.2 1 131 33 33 GLY N N 107.055 0.2 1 132 34 34 THR H H 9.727 0.01 1 133 34 34 THR C C 177.227 0.2 1 134 34 34 THR CA C 67.665 0.2 1 135 34 34 THR CB C 68.074 0.2 1 136 34 34 THR N N 119.47 0.2 1 137 35 35 VAL H H 8.868 0.01 1 138 35 35 VAL C C 178.727 0.2 1 139 35 35 VAL CA C 67.114 0.2 1 140 35 35 VAL CB C 32.271 0.2 1 141 35 35 VAL N N 123.695 0.2 1 142 36 36 MET H H 9.892 0.01 1 143 36 36 MET C C 179.427 0.2 1 144 36 36 MET CA C 61.182 0.2 1 145 36 36 MET CB C 33.429 0.2 1 146 36 36 MET N N 119.202 0.2 1 147 37 37 ARG H H 10.016 0.01 1 148 37 37 ARG C C 181.627 0.2 1 149 37 37 ARG CA C 59.01 0.2 1 150 37 37 ARG CB C 30.111 0.2 1 151 37 37 ARG N N 119.265 0.2 1 152 38 38 SER H H 8.852 0.01 1 153 38 38 SER C C 174.927 0.2 1 154 38 38 SER CA C 61.821 0.2 1 155 38 38 SER CB C 69.577 0.2 1 156 38 38 SER N N 120.294 0.2 1 157 39 39 LEU H H 8.151 0.01 1 158 39 39 LEU C C 177.327 0.2 1 159 39 39 LEU CA C 54.346 0.2 1 160 39 39 LEU CB C 41.992 0.2 1 161 39 39 LEU N N 119.853 0.2 1 162 40 40 GLY H H 8.476 0.01 1 163 40 40 GLY C C 174.527 0.2 1 164 40 40 GLY CA C 45.227 0.2 1 165 40 40 GLY N N 107.35 0.2 1 166 41 41 GLN H H 8.769 0.01 1 167 41 41 GLN C C 174.527 0.2 1 168 41 41 GLN CA C 55.05 0.2 1 169 41 41 GLN CB C 29.817 0.2 1 170 41 41 GLN N N 119.598 0.2 1 171 42 42 ASN H H 9.701 0.01 1 172 42 42 ASN CA C 51.712 0.2 1 173 42 42 ASN N N 117.022 0.2 1 174 44 44 THR H H 10.066 0.01 1 175 44 44 THR C C 175.527 0.2 1 176 44 44 THR CA C 60.729 0.2 1 177 44 44 THR CB C 70.969 0.2 1 178 44 44 THR N N 114.695 0.2 1 179 45 45 GLU H H 9.502 0.01 1 180 45 45 GLU C C 179.127 0.2 1 181 45 45 GLU CA C 59.993 0.2 1 182 45 45 GLU CB C 28.548 0.2 1 183 45 45 GLU N N 121.377 0.2 1 184 46 46 ALA H H 8.907 0.01 1 185 46 46 ALA C C 180.927 0.2 1 186 46 46 ALA CA C 54.993 0.2 1 187 46 46 ALA CB C 17.541 0.2 1 188 46 46 ALA N N 121.612 0.2 1 189 47 47 GLU H H 8.929 0.01 1 190 47 47 GLU C C 181.827 0.2 1 191 47 47 GLU CA C 60.099 0.2 1 192 47 47 GLU CB C 29.948 0.2 1 193 47 47 GLU N N 120.086 0.2 1 194 48 48 LEU H H 10.421 0.01 1 195 48 48 LEU C C 182.427 0.2 1 196 48 48 LEU CA C 60.651 0.2 1 197 48 48 LEU CB C 45.215 0.2 1 198 48 48 LEU N N 123.358 0.2 1 199 49 49 GLN H H 10.507 0.01 1 200 49 49 GLN C C 181.127 0.2 1 201 49 49 GLN CA C 60.817 0.2 1 202 49 49 GLN CB C 28.314 0.2 1 203 49 49 GLN N N 121.438 0.2 1 204 50 50 ASP H H 10.338 0.01 1 205 50 50 ASP CA C 59.885 0.2 1 206 50 50 ASP N N 123.074 0.2 1 207 72 72 MET H H 9.437 0.01 1 208 72 72 MET C C 178.427 0.2 1 209 72 72 MET CA C 56.634 0.2 1 210 72 72 MET CB C 30.291 0.2 1 211 72 72 MET N N 119.57 0.2 1 212 73 73 ALA H H 8.709 0.01 1 213 73 73 ALA C C 180.027 0.2 1 214 73 73 ALA CA C 54.419 0.2 1 215 73 73 ALA CB C 16.915 0.2 1 216 73 73 ALA N N 122.887 0.2 1 217 74 74 ARG H H 9.033 0.01 1 218 74 74 ARG C C 178.527 0.2 1 219 74 74 ARG CA C 59.467 0.2 1 220 74 74 ARG CB C 30.766 0.2 1 221 74 74 ARG N N 119.208 0.2 1 222 75 75 LYS H H 9.08 0.01 1 223 75 75 LYS C C 178.127 0.2 1 224 75 75 LYS CA C 58.982 0.2 1 225 75 75 LYS CB C 31.968 0.2 1 226 75 75 LYS N N 120.409 0.2 1 227 76 76 MET H H 8.478 0.01 1 228 76 76 MET C C 177.027 0.2 1 229 76 76 MET CA C 57.396 0.2 1 230 76 76 MET CB C 32.132 0.2 1 231 76 76 MET N N 117.904 0.2 1 232 77 77 LYS H H 8.069 0.01 1 233 77 77 LYS C C 177.027 0.2 1 234 77 77 LYS CA C 57.246 0.2 1 235 77 77 LYS CB C 32.178 0.2 1 236 77 77 LYS N N 118.8 0.2 1 237 78 78 ASP H H 8.525 0.01 1 238 78 78 ASP C C 176.227 0.2 1 239 78 78 ASP CA C 54.751 0.2 1 240 78 78 ASP CB C 41.4 0.2 1 241 78 78 ASP N N 118.763 0.2 1 242 79 79 THR H H 8.07 0.01 1 243 79 79 THR C C 173.327 0.2 1 244 79 79 THR CA C 61.845 0.2 1 245 79 79 THR CB C 70.41 0.2 1 246 79 79 THR N N 113.725 0.2 1 247 80 80 ASP H H 9.064 0.01 1 248 80 80 ASP C C 176.027 0.2 1 249 80 80 ASP CA C 53.247 0.2 1 250 80 80 ASP CB C 41.397 0.2 1 251 80 80 ASP N N 124.95 0.2 1 252 81 81 SER H H 8.981 0.01 1 253 81 81 SER C C 175.327 0.2 1 254 81 81 SER CA C 60.226 0.2 1 255 81 81 SER CB C 62.887 0.2 1 256 81 81 SER N N 120.824 0.2 1 257 82 82 GLU H H 8.641 0.01 1 258 82 82 GLU C C 178.227 0.2 1 259 82 82 GLU CA C 58.978 0.2 1 260 82 82 GLU CB C 28.568 0.2 1 261 82 82 GLU N N 122.082 0.2 1 262 83 83 GLU H H 8.458 0.01 1 263 83 83 GLU C C 178.327 0.2 1 264 83 83 GLU CA C 58.356 0.2 1 265 83 83 GLU CB C 28.979 0.2 1 266 83 83 GLU N N 120.057 0.2 1 267 84 84 GLU H H 8.713 0.01 1 268 84 84 GLU C C 180.027 0.2 1 269 84 84 GLU CA C 59.177 0.2 1 270 84 84 GLU CB C 28.979 0.2 1 271 84 84 GLU N N 118.625 0.2 1 272 85 85 ILE H H 8.653 0.01 1 273 85 85 ILE C C 177.627 0.2 1 274 85 85 ILE CA C 66.14 0.2 1 275 85 85 ILE CB C 36.713 0.2 1 276 85 85 ILE N N 122.001 0.2 1 277 86 86 ARG H H 8.677 0.01 1 278 86 86 ARG C C 179.027 0.2 1 279 86 86 ARG CA C 60.065 0.2 1 280 86 86 ARG CB C 29.02 0.2 1 281 86 86 ARG N N 122.71 0.2 1 282 87 87 GLU H H 8.961 0.01 1 283 87 87 GLU C C 179.427 0.2 1 284 87 87 GLU CA C 58.625 0.2 1 285 87 87 GLU CB C 28.255 0.2 1 286 87 87 GLU N N 117.926 0.2 1 287 88 88 ALA H H 8.672 0.01 1 288 88 88 ALA C C 178.827 0.2 1 289 88 88 ALA CA C 54.991 0.2 1 290 88 88 ALA CB C 17.882 0.2 1 291 88 88 ALA N N 121.671 0.2 1 292 89 89 PHE H H 9.263 0.01 1 293 89 89 PHE C C 176.127 0.2 1 294 89 89 PHE CA C 62.134 0.2 1 295 89 89 PHE CB C 38.044 0.2 1 296 89 89 PHE N N 120.485 0.2 1 297 90 90 ARG H H 7.952 0.01 1 298 90 90 ARG C C 176.927 0.2 1 299 90 90 ARG CA C 58.347 0.2 1 300 90 90 ARG CB C 29.794 0.2 1 301 90 90 ARG N N 114.881 0.2 1 302 91 91 VAL H H 7.687 0.01 1 303 91 91 VAL C C 176.627 0.2 1 304 91 91 VAL CA C 65.251 0.2 1 305 91 91 VAL CB C 31.049 0.2 1 306 91 91 VAL N N 117.849 0.2 1 307 92 92 PHE H H 7.605 0.01 1 308 92 92 PHE C C 176.627 0.2 1 309 92 92 PHE CA C 60.276 0.2 1 310 92 92 PHE CB C 40.286 0.2 1 311 92 92 PHE N N 116.406 0.2 1 312 93 93 ASP H H 8.229 0.01 1 313 93 93 ASP C C 176.627 0.2 1 314 93 93 ASP CA C 51.454 0.2 1 315 93 93 ASP CB C 37.761 0.2 1 316 93 93 ASP N N 116.401 0.2 1 317 94 94 LYS H H 7.669 0.01 1 318 94 94 LYS C C 177.727 0.2 1 319 94 94 LYS CA C 58.594 0.2 1 320 94 94 LYS CB C 31.98 0.2 1 321 94 94 LYS N N 125.612 0.2 1 322 95 95 ASP H H 8.439 0.01 1 323 95 95 ASP C C 177.327 0.2 1 324 95 95 ASP CA C 52.526 0.2 1 325 95 95 ASP CB C 38.593 0.2 1 326 95 95 ASP N N 114.118 0.2 1 327 96 96 GLY H H 8.031 0.01 1 328 96 96 GLY C C 174.527 0.2 1 329 96 96 GLY CA C 46.428 0.2 1 330 96 96 GLY N N 109.594 0.2 1 331 97 97 ASN H H 8.503 0.01 1 332 97 97 ASN C C 175.427 0.2 1 333 97 97 ASN CA C 52.054 0.2 1 334 97 97 ASN CB C 37.309 0.2 1 335 97 97 ASN N N 120.074 0.2 1 336 98 98 GLY H H 10.819 0.01 1 337 98 98 GLY C C 172.027 0.2 1 338 98 98 GLY CA C 44.218 0.2 1 339 98 98 GLY N N 113.07 0.2 1 340 99 99 TYR H H 7.784 0.01 1 341 99 99 TYR C C 174.127 0.2 1 342 99 99 TYR CA C 55.445 0.2 1 343 99 99 TYR CB C 42.002 0.2 1 344 99 99 TYR N N 116.374 0.2 1 345 100 100 ILE H H 10.303 0.01 1 346 100 100 ILE C C 174.827 0.2 1 347 100 100 ILE CA C 60.709 0.2 1 348 100 100 ILE CB C 38.155 0.2 1 349 100 100 ILE N N 127.583 0.2 1 350 101 101 SER H H 9.1 0.01 1 351 101 101 SER C C 174.627 0.2 1 352 101 101 SER CA C 55.132 0.2 1 353 101 101 SER CB C 66.028 0.2 1 354 101 101 SER N N 124.035 0.2 1 355 102 102 ALA H H 9.377 0.01 1 356 102 102 ALA C C 178.627 0.2 1 357 102 102 ALA CA C 55.228 0.2 1 358 102 102 ALA CB C 16.907 0.2 1 359 102 102 ALA N N 123.266 0.2 1 360 103 103 ALA H H 8.346 0.01 1 361 103 103 ALA C C 180.927 0.2 1 362 103 103 ALA CA C 54.599 0.2 1 363 103 103 ALA CB C 17.252 0.2 1 364 103 103 ALA N N 118.755 0.2 1 365 104 104 GLU H H 8.06 0.01 1 366 104 104 GLU C C 179.027 0.2 1 367 104 104 GLU CA C 58.525 0.2 1 368 104 104 GLU CB C 28.209 0.2 1 369 104 104 GLU N N 120.602 0.2 1 370 105 105 LEU H H 8.762 0.01 1 371 105 105 LEU C C 177.627 0.2 1 372 105 105 LEU CA C 57.267 0.2 1 373 105 105 LEU CB C 41.406 0.2 1 374 105 105 LEU N N 121.995 0.2 1 375 106 106 ARG H H 8.915 0.01 1 376 106 106 ARG C C 177.927 0.2 1 377 106 106 ARG CA C 59.337 0.2 1 378 106 106 ARG CB C 29.186 0.2 1 379 106 106 ARG N N 118.698 0.2 1 380 107 107 HIS H H 8.058 0.01 1 381 107 107 HIS C C 176.727 0.2 1 382 107 107 HIS CA C 59.619 0.2 1 383 107 107 HIS CB C 29.521 0.2 1 384 107 107 HIS N N 119.924 0.2 1 385 108 108 VAL H H 7.969 0.01 1 386 108 108 VAL C C 177.027 0.2 1 387 108 108 VAL CA C 66.439 0.2 1 388 108 108 VAL CB C 30.578 0.2 1 389 108 108 VAL N N 118.829 0.2 1 390 109 109 MET H H 8.372 0.01 1 391 109 109 MET C C 178.327 0.2 1 392 109 109 MET CA C 56.377 0.2 1 393 109 109 MET CB C 28.832 0.2 1 394 109 109 MET N N 115.162 0.2 1 395 110 110 THR H H 8.565 0.01 1 396 110 110 THR C C 177.827 0.2 1 397 110 110 THR CA C 65.748 0.2 1 398 110 110 THR CB C 67.916 0.2 1 399 110 110 THR N N 115.482 0.2 1 400 111 111 ASN H H 8.172 0.01 1 401 111 111 ASN C C 177.027 0.2 1 402 111 111 ASN CA C 55.555 0.2 1 403 111 111 ASN CB C 36.834 0.2 1 404 111 111 ASN N N 123.398 0.2 1 405 112 112 LEU H H 8.025 0.01 1 406 112 112 LEU C C 175.727 0.2 1 407 112 112 LEU CA C 55.356 0.2 1 408 112 112 LEU CB C 41.108 0.2 1 409 112 112 LEU N N 118.112 0.2 1 410 113 113 GLY H H 7.67 0.01 1 411 113 113 GLY C C 173.427 0.2 1 412 113 113 GLY CA C 43.936 0.2 1 413 113 113 GLY N N 104.069 0.2 1 414 114 114 GLU H H 7.891 0.01 1 415 114 114 GLU C C 173.827 0.2 1 416 114 114 GLU CA C 54.125 0.2 1 417 114 114 GLU CB C 29.489 0.2 1 418 114 114 GLU N N 122.381 0.2 1 419 115 115 LYS H H 8.228 0.01 1 420 115 115 LYS C C 174.527 0.2 1 421 115 115 LYS CA C 54.918 0.2 1 422 115 115 LYS CB C 30.582 0.2 1 423 115 115 LYS N N 125.631 0.2 1 424 116 116 LEU H H 7.949 0.01 1 425 116 116 LEU C C 177.027 0.2 1 426 116 116 LEU CA C 53.261 0.2 1 427 116 116 LEU CB C 43.293 0.2 1 428 116 116 LEU N N 125.24 0.2 1 429 117 117 THR H H 9.156 0.01 1 430 117 117 THR C C 174.827 0.2 1 431 117 117 THR CA C 59.926 0.2 1 432 117 117 THR CB C 70.382 0.2 1 433 117 117 THR N N 114.462 0.2 1 434 118 118 ASP H H 8.867 0.01 1 435 118 118 ASP C C 177.927 0.2 1 436 118 118 ASP CA C 57.263 0.2 1 437 118 118 ASP CB C 38.715 0.2 1 438 118 118 ASP N N 121.048 0.2 1 439 119 119 GLU H H 8.563 0.01 1 440 119 119 GLU C C 178.327 0.2 1 441 119 119 GLU CA C 59.141 0.2 1 442 119 119 GLU CB C 27.914 0.2 1 443 119 119 GLU N N 119.601 0.2 1 444 120 120 GLU H H 7.633 0.01 1 445 120 120 GLU C C 179.427 0.2 1 446 120 120 GLU CA C 58.194 0.2 1 447 120 120 GLU CB C 29.605 0.2 1 448 120 120 GLU N N 120.419 0.2 1 449 121 121 VAL H H 8.031 0.01 1 450 121 121 VAL C C 176.627 0.2 1 451 121 121 VAL CA C 66.296 0.2 1 452 121 121 VAL CB C 30.271 0.2 1 453 121 121 VAL N N 122.044 0.2 1 454 122 122 ASP H H 7.911 0.01 1 455 122 122 ASP C C 178.227 0.2 1 456 122 122 ASP CA C 56.913 0.2 1 457 122 122 ASP CB C 39.534 0.2 1 458 122 122 ASP N N 119.754 0.2 1 459 123 123 GLU H H 8.116 0.01 1 460 123 123 GLU C C 177.827 0.2 1 461 123 123 GLU CA C 58.556 0.2 1 462 123 123 GLU CB C 28.686 0.2 1 463 123 123 GLU N N 119.586 0.2 1 464 124 124 MET H H 7.631 0.01 1 465 124 124 MET C C 179.627 0.2 1 466 124 124 MET CA C 59.437 0.2 1 467 124 124 MET CB C 31.977 0.2 1 468 124 124 MET N N 119.394 0.2 1 469 125 125 ILE H H 8.159 0.01 1 470 125 125 ILE C C 177.027 0.2 1 471 125 125 ILE CA C 63.218 0.2 1 472 125 125 ILE CB C 34.965 0.2 1 473 125 125 ILE N N 120.314 0.2 1 474 126 126 ARG H H 8.517 0.01 1 475 126 126 ARG C C 178.027 0.2 1 476 126 126 ARG CA C 58.977 0.2 1 477 126 126 ARG CB C 29.179 0.2 1 478 126 126 ARG N N 118.518 0.2 1 479 127 127 GLU H H 7.868 0.01 1 480 127 127 GLU C C 176.127 0.2 1 481 127 127 GLU CA C 58.048 0.2 1 482 127 127 GLU CB C 29.199 0.2 1 483 127 127 GLU N N 116.701 0.2 1 484 128 128 ALA H H 7.085 0.01 1 485 128 128 ALA C C 176.227 0.2 1 486 128 128 ALA CA C 50.647 0.2 1 487 128 128 ALA CB C 20.931 0.2 1 488 128 128 ALA N N 117.271 0.2 1 489 129 129 ASP H H 8.026 0.01 1 490 129 129 ASP C C 174.927 0.2 1 491 129 129 ASP CA C 53.579 0.2 1 492 129 129 ASP CB C 39.835 0.2 1 493 129 129 ASP N N 117.913 0.2 1 494 130 130 ILE H H 8.229 0.01 1 495 130 130 ILE C C 177.127 0.2 1 496 130 130 ILE CA C 62.753 0.2 1 497 130 130 ILE CB C 37.646 0.2 1 498 130 130 ILE N N 128.174 0.2 1 499 131 131 ASP H H 8.3 0.01 1 500 131 131 ASP C C 177.527 0.2 1 501 131 131 ASP CA C 53.102 0.2 1 502 131 131 ASP CB C 38.984 0.2 1 503 131 131 ASP N N 116.444 0.2 1 504 132 132 GLY H H 7.581 0.01 1 505 132 132 GLY C C 174.527 0.2 1 506 132 132 GLY CA C 46.59 0.2 1 507 132 132 GLY N N 108.711 0.2 1 508 133 133 ASP H H 8.342 0.01 1 509 133 133 ASP C C 176.827 0.2 1 510 133 133 ASP CA C 52.875 0.2 1 511 133 133 ASP CB C 39.29 0.2 1 512 133 133 ASP N N 120.915 0.2 1 513 134 134 GLY H H 10.266 0.01 1 514 134 134 GLY C C 172.027 0.2 1 515 134 134 GLY CA C 45.014 0.2 1 516 134 134 GLY N N 112.573 0.2 1 517 135 135 GLN H H 7.996 0.01 1 518 135 135 GLN C C 174.227 0.2 1 519 135 135 GLN CA C 52.493 0.2 1 520 135 135 GLN CB C 31.559 0.2 1 521 135 135 GLN N N 115.19 0.2 1 522 136 136 VAL H H 9.156 0.01 1 523 136 136 VAL C C 175.027 0.2 1 524 136 136 VAL CA C 61.026 0.2 1 525 136 136 VAL CB C 32.935 0.2 1 526 136 136 VAL N N 125.488 0.2 1 527 137 137 ASN H H 9.567 0.01 1 528 137 137 ASN C C 173.927 0.2 1 529 137 137 ASN CA C 50.209 0.2 1 530 137 137 ASN CB C 37.589 0.2 1 531 137 137 ASN N N 129.279 0.2 1 532 138 138 TYR H H 8.344 0.01 1 533 138 138 TYR C C 175.427 0.2 1 534 138 138 TYR CA C 61.638 0.2 1 535 138 138 TYR CB C 36.841 0.2 1 536 138 138 TYR N N 118.569 0.2 1 537 139 139 GLU H H 8.144 0.01 1 538 139 139 GLU C C 179.527 0.2 1 539 139 139 GLU CA C 59.561 0.2 1 540 139 139 GLU CB C 27.716 0.2 1 541 139 139 GLU N N 118.6 0.2 1 542 140 140 GLU H H 8.746 0.01 1 543 140 140 GLU C C 178.627 0.2 1 544 140 140 GLU CA C 57.889 0.2 1 545 140 140 GLU CB C 28.373 0.2 1 546 140 140 GLU N N 119.966 0.2 1 547 141 141 PHE H H 8.501 0.01 1 548 141 141 PHE C C 176.027 0.2 1 549 141 141 PHE CA C 61.271 0.2 1 550 141 141 PHE CB C 39.224 0.2 1 551 141 141 PHE N N 124.319 0.2 1 552 142 142 VAL H H 8.769 0.01 1 553 142 142 VAL C C 178.827 0.2 1 554 142 142 VAL CA C 66.335 0.2 1 555 142 142 VAL CB C 30.518 0.2 1 556 142 142 VAL N N 119.247 0.2 1 557 143 143 GLN H H 7.733 0.01 1 558 143 143 GLN C C 177.227 0.2 1 559 143 143 GLN CA C 58.205 0.2 1 560 143 143 GLN CB C 26.975 0.2 1 561 143 143 GLN N N 118.613 0.2 1 562 144 144 MET H H 7.322 0.01 1 563 144 144 MET C C 176.727 0.2 1 564 144 144 MET CA C 55.863 0.2 1 565 144 144 MET CB C 30.145 0.2 1 566 144 144 MET N N 116.595 0.2 1 567 145 145 MET H H 7.529 0.01 1 568 145 145 MET C C 176.827 0.2 1 569 145 145 MET CA C 54.434 0.2 1 570 145 145 MET CB C 29.8 0.2 1 571 145 145 MET N N 113.522 0.2 1 572 146 146 THR H H 7.529 0.01 1 573 146 146 THR C C 173.527 0.2 1 574 146 146 THR CA C 61.161 0.2 1 575 146 146 THR CB C 69.528 0.2 1 576 146 146 THR N N 109.209 0.2 1 577 147 147 ALA H H 7.401 0.01 1 578 147 147 ALA C C 176.027 0.2 1 579 147 147 ALA CA C 51.981 0.2 1 580 147 147 ALA CB C 17.998 0.2 1 581 147 147 ALA N N 126.704 0.2 1 582 148 148 LYS H H 7.912 0.01 1 583 148 148 LYS CA C 56.947 0.2 1 584 148 148 LYS CB C 32.579 0.2 1 585 148 148 LYS N N 126.776 0.2 1 stop_ save_ save_RDC_TM _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_2 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DNH 2 ASP H 2 ASP N -4.115 $TOPSPIN ? ? . . DNH 3 GLN H 3 GLN N -2.767 $TOPSPIN ? ? . . DNH 4 LEU H 4 LEU N 6.456 $TOPSPIN ? ? . . DNH 5 THR H 5 THR N 14.190 $TOPSPIN ? ? . . DNH 6 GLU H 6 GLU N -4.824 $TOPSPIN ? ? . . DNH 7 GLU H 7 GLU N -3.973 $TOPSPIN ? ? . . DNH 8 GLN H 8 GLN N 1.773 $TOPSPIN ? ? . . DNH 9 ILE H 9 ILE N -4.540 $TOPSPIN ? ? . . DNH 10 ALA H 10 ALA N -6.456 $TOPSPIN ? ? . . DNH 11 GLU H 11 GLU N -3.689 $TOPSPIN ? ? . . DNH 12 PHE H 12 PHE N -2.554 $TOPSPIN ? ? . . DNH 13 LYS H 13 LYS N -5.959 $TOPSPIN ? ? . . DNH 14 GLU H 14 GLU N -6.598 $TOPSPIN ? ? . . DNH 15 ALA H 15 ALA N -5.888 $TOPSPIN ? ? . . DNH 16 PHE H 16 PHE N -4.753 $TOPSPIN ? ? . . DNH 17 SER H 17 SER N -6.456 $TOPSPIN ? ? . . DNH 18 LEU H 18 LEU N -5.534 $TOPSPIN ? ? . . DNH 19 PHE H 19 PHE N -4.682 $TOPSPIN ? ? . . DNH 20 ASP H 20 ASP N -6.030 $TOPSPIN ? ? . . DNH 21 LYS H 21 LYS N -6.456 $TOPSPIN ? ? . . DNH 22 ASP H 22 ASP N -10.997 $TOPSPIN ? ? . . DNH 23 GLY H 23 GLY N 11.777 $TOPSPIN ? ? . . DNH 24 ASP H 24 ASP N 10.500 $TOPSPIN ? ? . . DNH 31 GLU H 31 GLU N 9.365 $TOPSPIN ? ? . . DNH 32 LEU H 32 LEU N 6.953 $TOPSPIN ? ? . . DNH 33 GLY H 33 GLY N 11.352 $TOPSPIN ? ? . . DNH 34 THR H 34 THR N 17.524 $TOPSPIN ? ? . . DNH 35 VAL H 35 VAL N 10.145 $TOPSPIN ? ? . . DNH 36 MET H 36 MET N 10.855 $TOPSPIN ? ? . . DNH 37 ARG H 37 ARG N 17.595 $TOPSPIN ? ? . . DNH 38 SER H 38 SER N 14.686 $TOPSPIN ? ? . . DNH 39 LEU H 39 LEU N 4.115 $TOPSPIN ? ? . . DNH 40 GLY H 40 GLY N 5.037 $TOPSPIN ? ? . . DNH 41 GLN H 41 GLN N 5.817 $TOPSPIN ? ? . . DNH 42 ASN H 42 ASN N -2.979 $TOPSPIN ? ? . . DNH 44 THR H 44 THR N -1.419 $TOPSPIN ? ? . . DNH 45 GLU H 45 GLU N -4.682 $TOPSPIN ? ? . . DNH 46 ALA H 46 ALA N 3.689 $TOPSPIN ? ? . . DNH 47 GLU H 47 GLU N -0.141 $TOPSPIN ? ? . . DNH 48 LEU H 48 LEU N -4.540 $TOPSPIN ? ? . . DNH 49 GLN H 49 GLN N -1.489 $TOPSPIN ? ? . . DNH 72 MET H 72 MET N 14.544 $TOPSPIN ? ? . . DNH 73 ALA H 73 ALA N 12.700 $TOPSPIN ? ? . . DNH 74 ARG H 74 ARG N 4.044 $TOPSPIN ? ? . . DNH 75 LYS H 75 LYS N 6.243 $TOPSPIN ? ? . . DNH 76 MET H 76 MET N 17.382 $TOPSPIN ? ? . . DNH 77 LYS H 77 LYS N 1.844 $TOPSPIN ? ? . . DNH 78 ASP H 78 ASP N 3.973 $TOPSPIN ? ? . . DNH 79 THR H 79 THR N 3.263 $TOPSPIN ? ? . . DNH 80 ASP H 80 ASP N -2.057 $TOPSPIN ? ? . . DNH 81 SER H 81 SER N 2.483 $TOPSPIN ? ? . . DNH 82 GLU H 82 GLU N -7.449 $TOPSPIN ? ? . . DNH 83 GLU H 83 GLU N -1.348 $TOPSPIN ? ? . . DNH 84 GLU H 84 GLU N 0.212 $TOPSPIN ? ? . . DNH 85 ILE H 85 ILE N -2.696 $TOPSPIN ? ? . . DNH 86 ARG H 86 ARG N 10.429 $TOPSPIN ? ? . . DNH 87 GLU H 87 GLU N -2.625 $TOPSPIN ? ? . . DNH 88 ALA H 88 ALA N -4.257 $TOPSPIN ? ? . . DNH 89 PHE H 89 PHE N -3.334 $TOPSPIN ? ? . . DNH 90 ARG H 90 ARG N -3.973 $TOPSPIN ? ? . . DNH 91 VAL H 91 VAL N 0.709 $TOPSPIN ? ? . . DNH 92 PHE H 92 PHE N -3.334 $TOPSPIN ? ? . . DNH 93 ASP H 93 ASP N -3.760 $TOPSPIN ? ? . . DNH 94 LYS H 94 LYS N -2.908 $TOPSPIN ? ? . . DNH 95 ASP H 95 ASP N -12.700 $TOPSPIN ? ? . . DNH 96 GLY H 96 GLY N 16.034 $TOPSPIN ? ? . . DNH 97 ASN H 97 ASN N 8.726 $TOPSPIN ? ? . . DNH 98 GLY H 98 GLY N 1.631 $TOPSPIN ? ? . . DNH 99 TYR H 99 TYR N -6.243 $TOPSPIN ? ? . . DNH 100 ILE H 100 ILE N -4.966 $TOPSPIN ? ? . . DNH 101 SER H 101 SER N -13.693 $TOPSPIN ? ? . . DNH 102 ALA H 102 ALA N 4.398 $TOPSPIN ? ? . . DNH 103 ALA H 103 ALA N 15.183 $TOPSPIN ? ? . . DNH 104 GLU H 104 GLU N 4.540 $TOPSPIN ? ? . . DNH 105 LEU H 105 LEU N 1.348 $TOPSPIN ? ? . . DNH 106 ARG H 106 ARG N 9.152 $TOPSPIN ? ? . . DNH 107 HIS H 107 HIS N 11.919 $TOPSPIN ? ? . . DNH 108 VAL H 108 VAL N 1.844 $TOPSPIN ? ? . . DNH 109 MET H 109 MET N 4.966 $TOPSPIN ? ? . . DNH 110 THR H 110 THR N 14.757 $TOPSPIN ? ? . . DNH 111 ASN H 111 ASN N 7.946 $TOPSPIN ? ? . . DNH 112 LEU H 112 LEU N -2.341 $TOPSPIN ? ? . . DNH 113 GLY H 113 GLY N 11.352 $TOPSPIN ? ? . . DNH 114 GLU H 114 GLU N 4.966 $TOPSPIN ? ? . . DNH 115 LYS H 115 LYS N 14.544 $TOPSPIN ? ? . . DNH 116 LEU H 116 LEU N -2.625 $TOPSPIN ? ? . . DNH 117 THR H 117 THR N 2.483 $TOPSPIN ? ? . . DNH 118 ASP H 118 ASP N -1.631 $TOPSPIN ? ? . . DNH 119 GLU H 119 GLU N 3.831 $TOPSPIN ? ? . . DNH 120 GLU H 120 GLU N -0.354 $TOPSPIN ? ? . . DNH 121 VAL H 121 VAL N -2.979 $TOPSPIN ? ? . . DNH 122 ASP H 122 ASP N -0.993 $TOPSPIN ? ? . . DNH 123 GLU H 123 GLU N 2.767 $TOPSPIN ? ? . . DNH 124 MET H 124 MET N -3.405 $TOPSPIN ? ? . . DNH 125 ILE H 125 ILE N -2.979 $TOPSPIN ? ? . . DNH 126 ARG H 126 ARG N 1.135 $TOPSPIN ? ? . . DNH 127 GLU H 127 GLU N -3.334 $TOPSPIN ? ? . . DNH 128 ALA H 128 ALA N -3.973 $TOPSPIN ? ? . . DNH 129 ASP H 129 ASP N 2.554 $TOPSPIN ? ? . . DNH 130 ILE H 130 ILE N -11.422 $TOPSPIN ? ? . . DNH 131 ASP H 131 ASP N -10.926 $TOPSPIN ? ? . . DNH 132 GLY H 132 GLY N 10.287 $TOPSPIN ? ? . . DNH 133 ASP H 133 ASP N -5.037 $TOPSPIN ? ? . . DNH 134 GLY H 134 GLY N -3.902 $TOPSPIN ? ? . . DNH 135 GLN H 135 GLN N 0.283 $TOPSPIN ? ? . . DNH 136 VAL H 136 VAL N -7.946 $TOPSPIN ? ? . . DNH 137 ASN H 137 ASN N -11.210 $TOPSPIN ? ? . . DNH 138 TYR H 138 TYR N 13.906 $TOPSPIN ? ? . . DNH 139 GLU H 139 GLU N 15.041 $TOPSPIN ? ? . . DNH 140 GLU H 140 GLU N 8.372 $TOPSPIN ? ? . . DNH 141 PHE H 141 PHE N 11.564 $TOPSPIN ? ? . . DNH 142 VAL H 142 VAL N 16.957 $TOPSPIN ? ? . . DNH 143 GLN H 143 GLN N 11.919 $TOPSPIN ? ? . . DNH 144 MET H 144 MET N 6.811 $TOPSPIN ? ? . . DNH 145 MET H 145 MET N 14.970 $TOPSPIN ? ? . . DNH 146 THR H 146 THR N 9.365 $TOPSPIN ? ? . . DNH 147 ALA H 147 ALA N -3.476 $TOPSPIN ? ? . . DNH 148 LYS H 148 LYS N 0.354 $TOPSPIN ? ? . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700.13 _Text_data_format . _Text_data . save_